4-[4,5-difluoro-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine

C15H20F2N2O — CID 117118279

IUPAC4-[4,5-difluoro-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine
SMILESFc1cc(CC2CCCN2)c(N2CCOCC2)cc1F
InChIInChI=1S/C15H20F2N2O/c16-13-9-11(8-12-2-1-3-18-12)15(10-14(13)17)19-4-6-20-7-5-19/h9-10,12,18H,1-8H2
InChIKeyQJBOPLYYMWADBC-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.10
Rot. Bonds3

About 4-[4,5-difluoro-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine

4-[4,5-difluoro-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine (PubChem CID 117118279) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 4-[4,5-difluoro-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4,5-difluoro-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine
PubChem CID117118279
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name4-[4,5-difluoro-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine
SMILESFc1cc(CC2CCCN2)c(N2CCOCC2)cc1F
InChIInChI=1S/C15H20F2N2O/c16-13-9-11(8-12-2-1-3-18-12)15(10-14(13)17)19-4-6-20-7-5-19/h9-10,12,18H,1-8H2
InChIKeyQJBOPLYYMWADBC-UHFFFAOYSA-N
XLogP2.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4,5-difluoro-2-(piperidin-3-ylmethyl)phenyl]morpholine
CID 117118029
4-[5-methyl-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine
CID 117118281
2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine
CID 117319529
1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine
CID 117405725
4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117298865
2-[[5-(difluoromethyl)-2,3-difluorophenyl]methyl]pyrrolidine
CID 117369679
4-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 116807598
N-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 119833790
2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine
CID 117118178
2-[(2-fluoro-4-methyl-5-methylsulfanylphenyl)methyl]pyrrolidine
CID 117351620
2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
CID 104688006
4-[2-fluoro-4-(piperidin-3-ylmethyl)phenyl]morpholine
CID 117446569

Frequently Asked Questions

What is the IUPAC name of 4-[4,5-difluoro-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine?
The IUPAC name of 4-[4,5-difluoro-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine (CID 117118279) is 4-[4,5-difluoro-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine.
What is the SMILES notation for 4-[4,5-difluoro-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine?
The canonical SMILES for 4-[4,5-difluoro-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine is Fc1cc(CC2CCCN2)c(N2CCOCC2)cc1F.
What is the InChIKey of 4-[4,5-difluoro-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine?
The InChIKey is QJBOPLYYMWADBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c16-13-9-11(8-12-2-1-3-18-12)15(10-14(13)17)19-4-6-20-7-5-19/h9-10,12,18H,1-8H2.
What are the key properties of 4-[4,5-difluoro-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine?
4-[4,5-difluoro-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine has a molecular weight of 282.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-difluoro-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine is sourced from PubChem (CID 117118279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).